Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C(=O)OCC(=O)NCC(=O)N(C)C)=C(Br)C=C1

InChIKey

InChIKey=NJODCWGEWNYXPV-UHFFFAOYSA-N

Formula

C14H17BrN2O5

Mass

373.203

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - M-methoxybenzoic acid or derivatives - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Anisole - Methoxybenzene - Phenoxy compound - Phenol ether - Bromobenzene - Halobenzene - Alkyl aryl ether - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ether - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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